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Ligand

NameCHEMBL3977624
Molecular formulaC31H38ClN5O2S
IUPAC name1-[2-[4-chloro-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
Molecular weight580.188
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP7.0
SynonymsBDBM245305
SCHEMBL16782758
US9428504, 45
Inchi KeyADLCGJKRUBYLGT-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H38ClN5O2S/c1-30(2,3)18-36-16-14-31(15-17-36)19-37(27-24(38)13-12-20(32)26(27)31)23-10-6-4-8-21(23)33-28(39)35-29-34-22-9-5-7-11-25(22)40-29/h4,6,8,10,12-13,38H,5,7,9,11,14-19H2,1-3H3,(H2,33,34,35,39)
PubChem CID118130584
ChEMBLCHEMBL3977624
IUPHARN/A
BindingDB245305
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
533921P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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